1-butyl-3-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]urea

Systemtic Name: 1-butyl-3-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]methyl]urea Openeye Name: 1-butyl-3-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]methyl]urea CAS Name: 1-butyl-3-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]urea IUPAC Name: 1-butyl-3-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]methyl]urea Traditional Name: 1-butyl-3-[[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]methyl]urea Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CNC(=O)NCCCC

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CNC(=O)NCCCC

InChI

InChI=1S/C29H34N4O2/c1-3-5-10-26-17-16-25(20-32-29(35)31-18-6-4-2)28(34)33(26)21-22-12-14-23(15-13-22)27-11-8-7-9-24(27)19-30/h7-9,11-17H,3-6,10,18,20-21H2,1-2H3,(H2,31,32,35)